2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C14H22O2 — CID 62739545

IUPAC2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(CC2CCCC2)CC2CCC1C2
InChIInChI=1S/C14H22O2/c15-13(16)14(8-10-3-1-2-4-10)9-11-5-6-12(14)7-11/h10-12H,1-9H2,(H,15,16)
InChIKeyAWRCYDHOGLMCIL-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds3

About 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 62739545) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID62739545
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(CC2CCCC2)CC2CCC1C2
InChIInChI=1S/C14H22O2/c15-13(16)14(8-10-3-1-2-4-10)9-11-5-6-12(14)7-11/h10-12H,1-9H2,(H,15,16)
InChIKeyAWRCYDHOGLMCIL-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 62739545) is 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1(CC2CCCC2)CC2CCC1C2.
What is the InChIKey of 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is AWRCYDHOGLMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-13(16)14(8-10-3-1-2-4-10)9-11-5-6-12(14)7-11/h10-12H,1-9H2,(H,15,16).
What are the key properties of 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 222.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 62739545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).